In-Silico Structure Database (LMISSD)

Common Name
Cer(d14:2(4E,8E)/11:0(2OH[R]))
Systematic Name
N-(2R-hydroxyundecanoyl)-4E,8E-tetradecasphingadienine
LM ID
LMSP02019AI0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
425.350509
Formula
C25H47NO4
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]

String Representations

InChiKey (Click to copy)
YEZSRLPUYCAFEV-GXDYNETQSA-N
InChi (Click to copy)
InChI=1S/C25H47NO4/c1-3-5-7-9-11-12-14-15-17-19-23(28)22(21-27)26-25(30)24(29)20-18-16-13-10-8-6-4-2/h11-12,17,19,22-24,27-29H,3-10,13-16,18,20-21H2,1-2H3,(H,26,30)/b12-11+,19-17+/t22-,23+,24+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCC

References

Other Databases